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CAS 1099597-94-0 2,5-Dibromo-4-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1099597-94-0

2,5-Dibromo-4-(trifluoromethyl)pyridine

  • Product code: SSC-011205
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1099597-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1099597-94-0 / 2,5-dibromo-4-(trifluoromethyl)pyridine

2,5-Dibromo-4-(trifluoromethyl)pyridine | DTXSID40653372 | RefChem:444236

Standard CAS: 1099597-94-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1099597-94-0
Multi CAS
No
Molecular Formula
C6H2Br2F3N
Molecular Weight
304.890000
Exact Mass
304.848560
SMILES
C1=C(C(=CN=C1Br)Br)C(F)(F)F
InChI
InChI=1S/C6H2Br2F3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H
InChIKey
JKLDXTVIVWCPBX-UHFFFAOYSA-N
Synonyms
2,5-Dibromo-4-(trifluoromethyl)pyridine DTXSID40653372 RefChem:444236 DTXCID40604122 108-774-2

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
44.64
TPSA
12.89

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
3.5
Consensus LogP
3.44
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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